[CP2K-user] CPASSERT failed

[kazimieras tamoliunas]

Hello,
  i'm trying to restart geometry optimisation after maximum number of 
optimisation steps was reached, without reaching threshold values. I'm 
trying to restart a calculation from *-1.restart.bak-3 input file, but i 
run into this CPASSERT problem: 

 *******************************************************************************

 *   ___                                                                   
    *

 *  /   \                                                                  
    *

 * [ABORT]                                                                 
    *

 *  \___/                             CPASSERT failed                      
    *

 *    |                                                                    
    *

 *  O/|                                                                    
    *

 * /| |                                                                    
    *

 * / \                                                       
atoms_input.F:121 *

 *******************************************************************************



 ===== Routine Calling Stack =====


            5 read_atoms_input

            4 coordinate_control_READ_COORDINATE

            3 coordinate_control

            2 topology_control

            1 CP2K


 I'm asking because there is no apparent reason for this behaviour. If i 
start the calculation from my own input file, everything goes well. Maybe 
someone has a clue of why is this happening?


Regards,

 Kazimieras Tamoliūnas

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